3-[(5-fluoro-2-piperidin-1-ylphenyl)sulfamoyl]-4-methoxybenzoic acid

C19H21FN2O5S — CID 73437637

IUPAC3-[(5-fluoro-2-piperidin-1-ylphenyl)sulfamoyl]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(F)ccc1N1CCCCC1
InChIInChI=1S/C19H21FN2O5S/c1-27-17-8-5-13(19(23)24)11-18(17)28(25,26)21-15-12-14(20)6-7-16(15)22-9-3-2-4-10-22/h5-8,11-12,21H,2-4,9-10H2,1H3,(H,23,24)
InChIKeyUBKLNIFGBDJHPL-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.32
Rot. Bonds6

About 3-[(5-fluoro-2-piperidin-1-ylphenyl)sulfamoyl]-4-methoxybenzoic acid

3-[(5-fluoro-2-piperidin-1-ylphenyl)sulfamoyl]-4-methoxybenzoic acid (PubChem CID 73437637) has the molecular formula C19H21FN2O5S and a molecular weight of 408.45 g/mol. Its IUPAC name is 3-[(5-fluoro-2-piperidin-1-ylphenyl)sulfamoyl]-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-[(5-fluoro-2-piperidin-1-ylphenyl)sulfamoyl]-4-methoxybenzoic acid
PubChem CID73437637
Molecular FormulaC19H21FN2O5S
Molecular Weight408.45 g/mol
Exact Mass408.12
IUPAC Name3-[(5-fluoro-2-piperidin-1-ylphenyl)sulfamoyl]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(F)ccc1N1CCCCC1
InChIInChI=1S/C19H21FN2O5S/c1-27-17-8-5-13(19(23)24)11-18(17)28(25,26)21-15-12-14(20)6-7-16(15)22-9-3-2-4-10-22/h5-8,11-12,21H,2-4,9-10H2,1H3,(H,23,24)
InChIKeyUBKLNIFGBDJHPL-UHFFFAOYSA-N
XLogP3.32
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(5-fluoro-2-piperidin-1-ylphenyl)sulfamoyl]-4-methoxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azanium 4-methoxy-3-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 86765332
3-chloro-N-(5-fluoro-2-piperidin-1-ylphenyl)-4-methoxybenzenesulfonamide
CID 113092652
N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 113092763
3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 46292427
4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 777278
4-methoxy-3-[[2-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-5-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
CID 167367561
4-methoxy-3-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
CID 150496360
3-[(2,5-difluorophenyl)sulfonylamino]-4-(4-methylpiperidin-1-yl)benzoic acid
CID 46292347
methyl 4-hydroxy-3-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 156773332
3-[(2,4-dimethylphenyl)sulfonylamino]-4-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid
CID 46291928
5-fluoro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 122298710
3-[(3-chloro-4-methoxyphenyl)sulfonylamino]-4-(4-ethylpiperazin-1-yl)benzoic acid
CID 46291804

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-piperidin-1-ylphenyl)sulfamoyl]-4-methoxybenzoic acid?
The IUPAC name of 3-[(5-fluoro-2-piperidin-1-ylphenyl)sulfamoyl]-4-methoxybenzoic acid (CID 73437637) is 3-[(5-fluoro-2-piperidin-1-ylphenyl)sulfamoyl]-4-methoxybenzoic acid.
What is the SMILES notation for 3-[(5-fluoro-2-piperidin-1-ylphenyl)sulfamoyl]-4-methoxybenzoic acid?
The canonical SMILES for 3-[(5-fluoro-2-piperidin-1-ylphenyl)sulfamoyl]-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(F)ccc1N1CCCCC1.
What is the InChIKey of 3-[(5-fluoro-2-piperidin-1-ylphenyl)sulfamoyl]-4-methoxybenzoic acid?
The InChIKey is UBKLNIFGBDJHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O5S/c1-27-17-8-5-13(19(23)24)11-18(17)28(25,26)21-15-12-14(20)6-7-16(15)22-9-3-2-4-10-22/h5-8,11-12,21H,2-4,9-10H2,1H3,(H,23,24).
What are the key properties of 3-[(5-fluoro-2-piperidin-1-ylphenyl)sulfamoyl]-4-methoxybenzoic acid?
3-[(5-fluoro-2-piperidin-1-ylphenyl)sulfamoyl]-4-methoxybenzoic acid has a molecular weight of 408.45 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2-piperidin-1-ylphenyl)sulfamoyl]-4-methoxybenzoic acid is sourced from PubChem (CID 73437637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).